⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL575368 | 0.83 | — | — | |
| SCHEMBL19411065 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL19411068 | 0.68 | KMT2A (0.33) | — | |
| SCHEMBL9698537 | 0.67 | GBA1 (0.36) | — | |
| SCHEMBL18274683 | 0.63 | — | — | |
| SCHEMBL6481556 | 0.63 | — | — | |
| SCHEMBL14255598 | 0.60 | — | — | |
| SCHEMBL16245526 | 0.59 | AMPD2 (0.33) | — | |
| SCHEMBL12158321 | 0.57 | KMT2A (0.38) | — | |
| SCHEMBL246647 | 0.57 | CYP2D6 (0.38) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012012314-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-01-26 | — | — | WO | disclosed |